Information card for entry 7716198

Structure parameters

• Formula: C85 H108 N2 Ni2 O2 P4
• Calculated formula: C85 H108 N2 Ni2 O2 P4
• Title of publication: Reactivity of Low-valent Nickel Carbonyl Species Supported by Acridane Based PNP Ligands towards Iodoalkanes
• Authors of publication: Park, Sanha; Mi Sook, Seo; Kim, Mingi; Lee, Kang Mun; Graham, Peter M.; Lee, Yunho
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 8.6902 ± 0.0004 Å
• b: 20.5325 ± 0.0008 Å
• c: 21.3234 ± 0.0009 Å
• α: 90°
• β: 96.697 ± 0.002°
• γ: 90°
• Cell volume: 3778.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No